SCHEMBL5333448

SCHEMBL5333448

O=C(C=CN1CCC(O)(C(O)CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1)c1cc(F)c(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.36
SCN1A P35498 2/20 0.36
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CCR2 P41597 7/20 0.35
P2RY14 Q15391 3/20 0.35
ADRA2A P08913 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
ADRA1B P35368 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HRH4 Q9H3N8 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5325882 0.93 CCR1 (0.36) TACR1SCN1ASCN5ASCN9ACHRM2
SCHEMBL5321985 0.92 TACR1 (0.38) TACR1CHRM2CHRM5CHRM1CHRM3
SCHEMBL5351797 0.91 DRD2 (0.37) TACR1CCR2
SCHEMBL5326953 0.90 CCR2 (0.44) CCR2SIGMAR1
SCHEMBL5324486 0.88 CCR2 (0.46) CCR2SIGMAR1
SCHEMBL5322924 0.87 CCR2 (0.37) TACR1CHRM2CHRM5CHRM1CHRM3
SCHEMBL5321978 0.85 MAPT (0.47) SCN1ASCN5ASCN9ACCR2
SCHEMBL5328485 0.84 DRD2 (0.38) TACR1CCR2
SCHEMBL5326988 0.84 DRD2 (0.39) CCR2ADRA2AADRA1B
SCHEMBL5350435 0.82 DRD2 (0.41) CCR2SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007130712-A1 SUBSTITUTED DIPIPERIDINE AS CCR2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, NV (BE) 2007-11-15 WO claimed
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 US claimed
WO-2007130712-A1 SUBSTITUTED DIPIPERIDINE AS CCR2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, NV (BE) 2007-11-15 WO disclosed
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS CCR2, CCR1, CCR5 TACR1 261/4885SCN1A 1842/4885SCN5A 1473/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.